{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.46847 0 0 ] "si-unit" "m" "si-value" [ 5.46847e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0752926 5.44594 0 ] "si-unit" "m" "si-value" [ 7.52926e-12 5.44594e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00412544 0.201844 5.40303 ] "si-unit" "m" "si-value" [ 4.12544e-13 2.01844e-11 5.40303e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00347607 -0.00350605 -0.096896 ] [ 1.33363 1.43287 1.45525 ] [ -0.0378093 2.6958 2.61111 ] [ 1.37012 4.12622 4.01894 ] [ 2.67267 0.0858706 2.76525 ] [ 3.9434 1.3374 3.96298 ] [ 2.74102 2.68949 -0.0467586 ] [ 4.13757 3.9786 1.32692 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.47607e-13 -3.50605e-13 -9.6896e-12 ] [ 1.33363e-10 1.43287e-10 1.45525e-10 ] [ -3.78093e-12 2.6958e-10 2.61111e-10 ] [ 1.37012e-10 4.12622e-10 4.01894e-10 ] [ 2.67267e-10 8.58706e-12 2.76525e-10 ] [ 3.9434e-10 1.3374e-10 3.96298e-10 ] [ 2.74102e-10 2.68949e-10 -4.67586e-12 ] [ 4.137570000000001e-10 3.9786e-10 1.32692e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5421033999999999 0.23102249999999996 0.9135456999999999 ] [ 0.07718889999999999 -0.7850117999999999 -1.3146828999999998 ] [ -0.14365749999999997 0.46363849999999995 1.2751631999999997 ] [ -1.0969584999999997 -0.31734349999999995 -0.21835749999999998 ] [ 0.09893549999999998 -1.5098267999999997 -1.3387542999999997 ] [ 0.48302599999999996 0.6985613999999999 0.9173290999999999 ] [ 0.5464413999999999 -0.19902399999999998 0.28290429999999994 ] [ -0.5070789999999998 1.4179836999999997 -0.5171475999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.685453935361906e-10 3.701388483787679e-10 1.46366156257237e-09 ] [ 1.236702509652691e-10 -1.257727553012125e-09 -2.106354206145544e-09 ] [ -2.30164687902576e-10 7.428307652027807e-10 2.043036666744514e-09 ] [ -1.757521262687836e-09 -5.084403364628447e-10 -3.49847281476336e-10 ] [ 1.585121450671584e-10 -2.419009200417277e-09 -2.144920840455469e-09 ] [ 7.738929644385408e-10 1.119218743273317e-09 1.469723237599505e-09 ] [ 8.754956357172209e-10 -3.188715997780992e-10 4.532626553837893e-10 ] [ -8.12430118698643e-10 2.271860332815481e-09 -8.2856179422283e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 650.78597 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.04267406627865e-16 } }